Dear all wien2k users and Dr. Peter Blaha
I am solving monoclinic structure having space space group P21/m
(no. 11). My unique axis is b. But there are 3 space groups of type P21/m
at 11 number. Whatever I select out of these space group it shows unique
axis c. I don’t understand why are these 3 same sgroups at the same
position ? Do they represent 3 different unique axes ? Second thing is that
in solving bandstructure in the klist.band file it is showing simple cubic
instead of monoclinic . Whatever structure I solve it shows simple cubic
tempelate in klist.band while solving bandstructure. So please help me if
somebody knows or have faced this kind of problem. I’ll be really grateful
for it
Thanks and Regards
Mandeep Kumar
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